@MOLECULE (2s,5r,6r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.1218 0.4851 -1.2269 S.3 1 UNL1111111111 -0.0733 2 O 1.6285 -2.0216 2.4220 O.2 1 UNL1111111111 -0.3802 3 O 5.5235 0.1193 0.2190 O.3 1 UNL1111111111 -0.5707 4 OXT 4.5092 -0.7058 -1.5912 O.2 1 UNL1111111111 -0.4567 5 O -2.2363 -2.5824 -0.5430 O.2 1 UNL1111111111 -0.4738 6 O -5.3837 -1.3238 0.1107 O.3 1 UNL1111111111 -0.5504 7 O -4.3970 -0.4999 -1.7163 O.2 1 UNL1111111111 -0.4739 8 N 2.4079 -1.3435 0.2694 N.am 1 UNL1111111111 -0.5119 9 N -0.8170 -1.1938 0.5551 N.am 1 UNL1111111111 -0.5804 10 C 1.3723 -1.2805 -0.8055 C.3 1 UNL1111111111 -0.0320 11 C 2.3725 1.1138 0.0261 C.3 1 UNL1111111111 0.0489 12 CA 3.2086 -0.1419 0.4333 C.3 1 UNL1111111111 -0.0267 13 CA 0.3392 -1.9564 0.1918 C.3 1 UNL1111111111 -0.0079 14 C 1.4852 -1.8263 1.2640 C.2 1 UNL1111111111 0.5313 15 C 3.2185 2.1933 -0.6193 C.3 1 UNL1111111111 -0.4746 16 C 1.6382 1.6598 1.2422 C.3 1 UNL1111111111 -0.4773 17 C 4.4283 -0.3015 -0.4677 C.2 1 UNL1111111111 0.6278 18 C -2.0646 -1.5501 0.0583 C.2 1 UNL1111111111 0.5970 19 C -3.1901 -0.5774 0.4132 C.3 1 UNL1111111111 -0.2891 20 C -2.7215 0.8490 0.3725 C.ar 1 UNL1111111111 -0.0398 21 C -4.3338 -0.7801 -0.5525 C.2 1 UNL1111111111 0.6580 22 C -2.5897 1.5623 1.5656 C.ar 1 UNL1111111111 -0.1609 23 C -2.3649 1.4445 -0.8394 C.ar 1 UNL1111111111 -0.1219 24 C -2.0816 2.8590 1.5475 C.ar 1 UNL1111111111 -0.1524 25 C -1.8610 2.7428 -0.8529 C.ar 1 UNL1111111111 -0.1365 26 C -1.7117 3.4482 0.3398 C.ar 1 UNL1111111111 -0.1432 27 H 1.6290 -1.8798 -1.6978 H 1 UNL1111111111 0.1949 28 HA 3.5527 -0.0568 1.5051 H 1 UNL1111111111 0.2033 29 HA 0.0840 -3.0051 -0.0853 H 1 UNL1111111111 0.2065 30 H 4.0633 2.4778 0.0279 H 1 UNL1111111111 0.1693 31 H 3.6484 1.8903 -1.5873 H 1 UNL1111111111 0.1761 32 H 2.6451 3.1122 -0.8090 H 1 UNL1111111111 0.1666 33 H 1.1256 0.8833 1.8233 H 1 UNL1111111111 0.1516 34 H 2.3332 2.1599 1.9338 H 1 UNL1111111111 0.1663 35 H 0.8817 2.4125 0.9721 H 1 UNL1111111111 0.1707 36 H -0.6649 -0.2723 0.9546 H 1 UNL1111111111 0.3264 37 H -3.5447 -0.8502 1.4535 H 1 UNL1111111111 0.2158 38 H 6.3727 0.0150 -0.2771 H 1 UNL1111111111 0.3598 39 H -2.8841 1.1132 2.5129 H 1 UNL1111111111 0.1567 40 H -2.4809 0.8954 -1.7791 H 1 UNL1111111111 0.1852 41 H -1.9790 3.4140 2.4785 H 1 UNL1111111111 0.1518 42 H -1.5814 3.2038 -1.7998 H 1 UNL1111111111 0.1593 43 H -6.1625 -1.5180 -0.4703 H 1 UNL1111111111 0.3602 44 H -1.3137 4.4612 0.3268 H 1 UNL1111111111 0.1500 @BOND 1 1 10 1 2 1 11 1 3 2 14 2 4 3 17 1 5 3 38 1 6 4 17 2 7 5 18 2 8 6 21 1 9 6 43 1 10 7 21 2 11 8 10 1 12 8 12 1 13 8 14 am 14 9 13 1 15 9 18 am 16 9 36 1 17 10 13 1 18 10 27 1 19 11 12 1 20 11 15 1 21 11 16 1 22 12 17 1 23 12 28 1 24 13 14 1 25 13 29 1 26 15 30 1 27 15 31 1 28 15 32 1 29 16 33 1 30 16 34 1 31 16 35 1 32 18 19 1 33 19 20 1 34 19 21 1 35 19 37 1 36 20 22 ar 37 20 23 ar 38 22 24 ar 39 22 39 1 40 23 25 ar 41 23 40 1 42 24 26 ar 43 24 41 1 44 25 26 ar 45 25 42 1 46 26 44 1